Geometry & MOs

Info

ID:

184657

PubChem CID:

77189867

Reduced:

O4N5C32H37 (1)

Stoich.:

A4B5C32D37 (1)

Weight, g/mol:

466.261377

ΔHf, kcal/mol:

-96.93

Dipole, Da:

7.18

IP(EA), eV:

 -9.22(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[3-methyl-4-(2-methylpropyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

COCCCN1C2=C(C=CN=C2)N=C1C3CCCN(C3)C(=O)CC(CC4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)O

DOS

IR

Vibrations